(E)-3-(5-bromanyl-3,3-dimethyl-2H-1-benzofuran-7-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(5-bromanyl-3,3-dimethyl-2H-1-benzofuran-7-yl)prop-2-enoic acid Openeye Name: (E)-3-(5-bromo-3,3-dimethyl-2H-benzofuran-7-yl)prop-2-enoic acid CAS Name: (E)-3-(5-bromo-3,3-dimethyl-2H-benzofuran-7-yl)-2-propenoic acid IUPAC Name: (E)-3-(5-bromo-3,3-dimethyl-2H-1-benzofuran-7-yl)prop-2-enoic acid Traditional Name: (E)-3-(5-bromo-3,3-dimethyl-coumaran-7-yl)acrylic acid Formula: C13H13BrO3 MolecularWeight: 297.14452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C1C=C(C=C2C=CC(=O)O)Br)C

Isomeric SMILES

CC1(COC2=C1C=C(C=C2/C=C/C(=O)O)Br)C

InChI

InChI=1S/C13H13BrO3/c1-13(2)7-17-12-8(3-4-11(15)16)5-9(14)6-10(12)13/h3-6H,7H2,1-2H3,(H,15,16)/b4-3+